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Pendimethalin

CAT: 1459-CS-T-38831Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-38831Size:1 Each
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Description
Pendimethalin is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Pendimethalin. The product is supplied by Clearsynth under CAT No. CS-T-38831. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Herbicide used to control the spread of weedgrass.
CAS Number
40487-42-1
Synonyms
Pendimethalin
Molecular Formula
C 13 H 19 N 3 O 4
Molecular Weight
281.31
Additionnal Information
Pendimethalin is supplied with detailed characterization data compliant with regulatory guideline. Pendimethalin can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Pendimethalin.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Herbicide used to control the spread of weedgrass.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Pendimethalin

Pendimethalin is a member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds. It has a role as a herbicide, an agrochemical and an environmental contaminant. It is a C-nitro compound, a substituted aniline and a secondary amino compound.

CAS Number40487-42-1
PubChem CID38479
IUPAC Name3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
Molecular FormulaC13H19N3O4
Molecular Weight281.31
XLogP5.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity349
SMILES
CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
InChI
InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
InChIKey
CHIFOSRWCNZCFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pendimethalin
CAS: 40487-42-1
CID: 38479
Formula: C13H19N3O4
MW: 281.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.31
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass281.13755610
Monoisotopic Mass281.13755610
Topological Polar Surface Area104 Ų
Heavy Atom Count20
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-P221900-1GPendimethalin
HY-B0862SPendimethalin-d5
HY-B0862R-01Pendimethalin (Standard)
S-3230Prowl (Pendimethalin)
TRC-H594060-100MG4-Hydroxymethyl Pendimethalin
GTR19150910Pendimethalin-KLH conj.

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